SCHEMBL4570246

SCHEMBL4570246

C=CC(=O)OCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCCCCC(CCCCCCCC)C(CCCCCCCC)CCCCCCCCC(=O)NCCNC(=O)CCCCCCCCC(CCCCCCCC)C(CCCCCCCC)CCCCCCCCC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCOC(=O)C=C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.47
TSHR P16473 3/20 0.46
HPGD P15428 1/20 0.46
EPHX2 P34913 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
NAPEPLD Q6IQ20 1/20 0.42
FAAH O00519 3/20 0.42
NOD1 Q9Y239 1/20 0.42
CNR2 P34972 3/20 0.40
PLA2G2A P14555 2/20 0.40
CNR1 P21554 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12451260 1.00 DGKA (0.47) DGKATSHRHPGDEPHX2L3MBTL1
SCHEMBL14370086 0.98 DGKA (0.45) DGKATSHRHPGDEPHX2L3MBTL1
SCHEMBL10033435 0.98 DGKA (0.49) DGKATSHRHPGDEPHX2L3MBTL1
SCHEMBL10308812 0.97 NAAA (0.44) DGKATSHRHPGDEPHX2L3MBTL1
SCHEMBL13324820 0.97 DGKA (0.44) DGKATSHRHPGDEPHX2L3MBTL1
SCHEMBL13324790 0.97 DGKA (0.44) DGKATSHRHPGDEPHX2L3MBTL1
SCHEMBL13324822 0.96 DGKA (0.43) DGKATSHRHPGDEPHX2L3MBTL1
SCHEMBL14408858 0.96 DGKA (0.43) DGKATSHRHPGDEPHX2L3MBTL1
SCHEMBL13324815 0.96 DGKA (0.43) DGKATSHRHPGDEPHX2L3MBTL1
SCHEMBL13849633 0.96 DGKA (0.47) DGKATSHRHPGDEPHX2L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8702223-B2 Infrared-absorbing radiation-curable inks XEROX CORPORATION (US) 2014-04-22 US disclosed
US-8545002-B2 Ink set and manufacturing process for phase change inks XEROX CORPORATION (US) 2013-10-01 US disclosed
US-20120190765-A1 ROBUST CURABLE SOLID INKS XEROX CORPORATION (US) 2012-07-26 US disclosed
US-20120175820-A1 DIGITALLY PREPARED STAMP MASTERS AND METHODS OF MAKING THE SAME XEROX CORPORATION (US) 2012-07-12 US disclosed
US-20120162333-A1 Infrared-Absorbing Radiation-Curable Inks XEROX CORPORATION (US) 2012-06-28 US disclosed
US-20120120145-A1 INK SET AND MANUFACTURING PROCESS FOR PHASE CHANGE INKS XEROX CORPORATION (US) 2012-05-17 US disclosed